Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 5/20 | 0.38 |
| ▸ | JAK2 | O60674 | 4/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13798619 | 0.92 | CYP2C9 (0.44) | CYP2C9CYP2C19RAB9ASMN1; SMN2RORC | |
| SCHEMBL4110938 | 0.89 | CYP2C9 (0.55) | CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11947247 | 0.87 | CYP2C9 (0.39) | CYP2C9CYP2C19NPC1RAB9APDE5A | |
| SCHEMBL10256417 | 0.86 | CYP2C9 (0.43) | CYP2C9CYP2C19PIN1NPC1RAB9A | |
| SCHEMBL11947965 | 0.86 | CYP2C9 (0.41) | CYP2C9CYP2C19JAK2JAK1TYK2 | |
| SCHEMBL13798659 | 0.85 | CYP2C9 (0.38) | CYP2C9CYP2C19PIN1JAK2JAK1 | |
| SCHEMBL10254255 | 0.84 | MAPK14 (0.38) | CYP2C9CYP2C19JAK2JAK1TYK2 | |
| SCHEMBL4113576 | 0.83 | CYP2C9 (0.56) | CYP2C9CYP2C19JAK2JAK1TYK2 | |
| SCHEMBL10256174 | 0.82 | ADORA1 (0.37) | CYP2C9CYP2C19JAK2JAK1TYK2 | |
| SCHEMBL13561273 | 0.82 | CYP2C9 (0.55) | CYP2C9CYP2C19NPC1RAB9AJAK2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009079412-A2 | REVERSE TRANSCRIPTASE INHIBITORS | ARDEA BIOSCIENCES INC. (US) | 2009-06-25 | — | — | WO | disclosed |